Schembl30630400

Structural Information

Molecular Formula

C₂₀₅H₃₁₅N₅₅O₇₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N

InChI

InChI=1S/C205H315N55O72S/c1-19-98(14)163(200(327)238-124(52-64-159(286)287)175(302)231-123(51-63-158(284)285)180(307)254-142(89-261)197(324)237-117(45-57-148(212)269)176(303)248-137(81-150(214)271)188(315)234-116(44-56-147(211)268)172(299)227-114(42-54-145(209)266)170(297)229-118(46-58-153(274)275)173(300)225-112(35-26-28-67-206)169(296)247-136(80-149(213)270)189(316)236-119(47-59-154(276)277)174(301)228-115(43-55-146(210)267)171(298)230-120(48-60-155(278)279)177(304)240-129(72-94(6)7)184(311)242-128(71-93(4)5)183(310)235-122(50-62-157(282)283)178(305)241-130(73-95(8)9)185(312)250-141(85-162(292)293)193(320)239-127(204(331)332)36-27-29-68-207)258-194(321)131(74-96(10)11)243-198(325)143(90-262)255-187(314)135(79-105-88-219-92-223-105)252-201(328)165(100(16)21-3)259-195(322)132(75-97(12)13)244-199(326)144(91-263)256-203(330)166(101(17)264)260-196(323)133(76-102-38-40-106(265)41-39-102)245-190(317)138(82-151(215)272)249-191(318)139(83-152(216)273)253-202(329)164(99(15)20-2)257-182(309)125(53-65-160(288)289)233-168(295)113(37-30-69-220-205(217)218)226-192(319)140(84-161(290)291)251-186(313)134(78-104-87-222-111-34-25-23-32-108(104)111)246-179(306)121(49-61-156(280)281)232-181(308)126(66-70-333-18)224-167(294)109(208)77-103-86-221-110-33-24-22-31-107(103)110/h22-25,31-34,38-41,86-88,92-101,109,112-144,163-166,221-222,261-265H,19-21,26-30,35-37,42-85,89-91,206-208H2,1-18H3,(H2,209,266)(H2,210,267)(H2,211,268)(H2,212,269)(H2,213,270)(H2,214,271)(H2,215,272)(H2,216,273)(H,219,223)(H,224,294)(H,225,300)(H,226,319)(H,227,299)(H,228,301)(H,229,297)(H,230,298)(H,231,302)(H,232,308)(H,233,295)(H,234,315)(H,235,310)(H,236,316)(H,237,324)(H,238,327)(H,239,320)(H,240,304)(H,241,305)(H,242,311)(H,243,325)(H,244,326)(H,245,317)(H,246,306)(H,247,296)(H,248,303)(H,249,318)(H,250,312)(H,251,313)(H,252,328)(H,253,329)(H,254,307)(H,255,314)(H,256,330)(H,257,309)(H,258,321)(H,259,322)(H,260,323)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,331,332)(H4,217,218,220)/t98-,99-,100-,101+,109-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,163-,164-,165-,166-/m0/s1

InChIKey

FDVXMOHQMWQXKT-FQBYXOFJSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid

Related CIDs

• CID 16197569